CID 218194

Brn 0925625

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC1=C(C=C(C=C1)C2=NC(=C(N2)C(=O)C(=O)OC)O)C
InChI
InChI=1S/C14H14N2O4/c1-7-4-5-9(6-8(7)2)12-15-10(13(18)16-12)11(17)14(19)20-3/h4-6,18H,1-3H3,(H,15,16)
InChIKey
RVHWUKVPWJTBKL-UHFFFAOYSA-N
Compound name
methyl 2-[2-(3,4-dimethylphenyl)-4-hydroxy-1H-imidazol-5-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 160.6
[M+Na]+ 297.08459 169.5
[M-H]- 273.08809 163.3
[M+NH4]+ 292.12919 174.8
[M+K]+ 313.05853 166.1
[M+H-H2O]+ 257.09263 153.2
[M+HCOO]- 319.09357 179.3
[M+CH3COO]- 333.10922 194.9
[M+Na-2H]- 295.07004 160.2
[M]+ 274.09482 162.4
[M]- 274.09592 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.